0 mol 19 unq 0 iso 0 dist 9.47909 6.57145 6.50337 10.7917 7.16903 7.20519 numMergedOcc 0
1 mol 19 unq 1 iso 0 dist 9.47909 6.57145 6.50337 8.18518 10.2774 4.54938 numMergedOcc 0
2 mol 19 unq 2 iso 0 dist 9.47909 6.57145 6.50337 12.9091 10.3465 6.864 numMergedOcc 0
3 mol 24 unq 0 iso 0 dist 7.84552 14.959 8.80127 12.6611 7.6222 5.54419 numMergedOcc 0
4 mol 24 unq 1 iso 0 dist 7.84552 14.959 8.80127 18.5238 11.7026 7.36323 numMergedOcc 0
5 mol 24 unq 2 iso 0 dist 7.84552 9.85198 6.48457 12.9306 9.9259 8.86116 numMergedOcc 0
6 mol 24 unq 3 iso 0 dist 7.84552 9.85198 6.48457 16.5811 12.2071 8.38394 numMergedOcc 0
7 mol 43 unq 0 iso 0 dist 9.36759 14.6904 9.07906 15.7133 8.42544 5.73819 numMergedOcc 0
8 mol 43 unq 1 iso 0 dist 9.36759 14.6904 9.07906 10.9455 6.09486 6.20293 numMergedOcc 0
9 mol 43 unq 2 iso 0 dist 9.36759 14.6904 9.07906 13.4358 4.40385 8.93915 numMergedOcc 0
10 mol 43 unq 3 iso 0 dist 5.0553 11.8429 9.07906 12.9917 8.42544 5.73819 numMergedOcc 0
11 mol 43 unq 4 iso 0 dist 5.0553 11.8429 9.07906 10.2065 6.09486 6.20293 numMergedOcc 0
12 mol 43 unq 5 iso 0 dist 5.0553 11.8429 9.07906 9.08164 4.40385 8.93915 numMergedOcc 0
13 mol 113 unq 0 iso 0 dist 9.76134 10.9135 5.94552 12.0942 4.38244 5.86073 numMergedOcc 0
14 mol 119 unq 0 iso 0 dist 7.43445 6.24736 8.20715 11.4157 4.55137 9.87172 numMergedOcc 0
15 mol 119 unq 1 iso 0 dist 7.43445 5.81718 6.16081 9.85387 7.36889 6.18601 numMergedOcc 0
16 mol 127 unq 0 iso 0 dist 7.34368 10.345 8.82676 6.65963 6.3084 8.14887 numMergedOcc 0
17 mol 127 unq 1 iso 0 dist 7.34368 10.345 8.82676 8.62711 12.4721 9.30299 numMergedOcc 0
18 mol 133 unq 0 iso 0 dist 9.58868 16.8552 8.75049 15.1126 5.58281 6.80239 numMergedOcc 0
19 mol 152 unq 0 iso 0 dist 9.87656 14.7987 8.86966 16.0543 8.18329 5.87555 numMergedOcc 0
20 mol 152 unq 1 iso 0 dist 9.87656 14.7987 8.86966 11.0227 5.97115 6.70283 numMergedOcc 0
21 mol 152 unq 2 iso 0 dist 9.87656 14.7987 8.86966 13.9761 4.36394 8.67331 numMergedOcc 0
22 mol 152 unq 3 iso 0 dist 9.87656 10.8051 5.7527 16.0543 8.18329 8.87437 numMergedOcc 0
23 mol 152 unq 4 iso 0 dist 9.87656 10.8051 5.7527 11.0227 5.97115 7.16148 numMergedOcc 0
24 mol 152 unq 5 iso 0 dist 9.87656 10.8051 5.7527 13.9761 4.36394 8.05741 numMergedOcc 0
25 mol 152 unq 6 iso 0 dist 5.35463 11.7248 8.86966 13.0408 8.18329 5.87555 numMergedOcc 0
26 mol 152 unq 7 iso 0 dist 5.35463 11.7248 8.86966 10.2576 5.97115 6.70283 numMergedOcc 0
27 mol 152 unq 8 iso 0 dist 5.35463 11.7248 8.86966 9.35916 4.36394 8.67331 numMergedOcc 0
28 mol 152 unq 9 iso 0 dist 5.35463 6.4987 5.7527 13.0408 8.18329 8.87437 numMergedOcc 0
29 mol 152 unq 10 iso 0 dist 5.35463 6.4987 5.7527 10.2576 5.97115 7.16148 numMergedOcc 0
30 mol 152 unq 11 iso 0 dist 5.35463 6.4987 5.7527 9.35916 4.36394 8.05741 numMergedOcc 0
31 mol 167 unq 0 iso 0 dist 7.78684 6.43506 5.72735 7.83781 6.38496 9.87651 numMergedOcc 0
32 mol 192 unq 0 iso 0 dist 9.99252 6.34098 8.63044 11.1541 10.375 5.59424 numMergedOcc 0
33 mol 205 unq 0 iso 0 dist 9.49617 13.7273 7.23959 17.993 9.73907 6.03031 numMergedOcc 0
34 mol 205 unq 1 iso 0 dist 9.49617 13.7273 7.23959 17.0692 12.3578 7.26832 numMergedOcc 0
35 mol 205 unq 2 iso 0 dist 9.49617 13.7273 7.23959 15.2075 6.06996 7.80463 numMergedOcc 0
36 mol 205 unq 3 iso 0 dist 9.15508 4.25942 7.23959 9.82156 9.73907 6.03031 numMergedOcc 0
37 mol 205 unq 4 iso 0 dist 9.15508 4.25942 7.23959 10.4618 12.3578 7.26832 numMergedOcc 0
38 mol 205 unq 5 iso 0 dist 9.15508 4.25942 7.23959 9.3629 6.06996 7.80463 numMergedOcc 0
39 mol 220 unq 0 iso 0 dist 6.57898 6.19375 4.96654 15.0279 13.231 9.23153 numMergedOcc 0
40 mol 220 unq 1 iso 0 dist 6.57898 6.19375 4.96654 13.2107 7.35133 8.24498 numMergedOcc 0
41 mol 224 unq 0 iso 0 dist 5.74939 6.70321 8.20295 11.2702 8.95149 6.61986 numMergedOcc 0
42 mol 224 unq 1 iso 0 dist 9.55911 4.55824 7.80754 7.04127 4.32714 6.61986 numMergedOcc 0
43 mol 258 unq 0 iso 0 dist 8.46598 12.2458 6.78929 12.2462 4.5427 6.97229 numMergedOcc 0
44 mol 258 unq 1 iso 0 dist 7.17822 6.51074 6.78929 10.3219 4.5427 6.97229 numMergedOcc 0
45 mol 261 unq 0 iso 0 dist 7.01147 13.3285 9.00426 17.2877 15.4874 9.14619 numMergedOcc 0
46 mol 261 unq 1 iso 0 dist 9.53489 13.3285 8.19348 17.2877 13.3429 9.14619 numMergedOcc 0
47 mol 261 unq 2 iso 0 dist 8.69549 15.0037 9.00426 22.5502 15.4874 9.14619 numMergedOcc 0
